NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
46695 |
2f88   |
cing | 2-parsed | STAR | dipolar coupling | 37 |
data_2f88_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2f88
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2f88 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2f88
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2f88 "Master copy" parsed_2f88
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2f88
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2f88.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2f88 1
1 2f88.mr . . XPLOR/CNS 2 distance NOE simple 481 parsed_2f88 1
1 2f88.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 68 parsed_2f88 1
1 2f88.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 37 parsed_2f88 1
1 2f88.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2f88 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2f88
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 28.4 . . . . . 2 . C2 . 2 . H2 parsed_2f88 1
2 . . . . . . . . . . . . . . . . 25.2 . . . . . 24 . C2 . 24 . H2 parsed_2f88 1
3 . . . . . . . . . . . . . . . . 45.2 . . . . . 34 . C5 . 34 . H5 parsed_2f88 1
4 . . . . . . . . . . . . . . . . 48.6 . . . . . 33 . C5 . 33 . H5 parsed_2f88 1
5 . . . . . . . . . . . . . . . . 14.2 . . . . . 21 . C5 . 21 . H5 parsed_2f88 1
6 . . . . . . . . . . . . . . . . 28.2 . . . . . 9 . C5 . 9 . H5 parsed_2f88 1
7 . . . . . . . . . . . . . . . . 46.6 . . . . . 32 . C5 . 32 . H5 parsed_2f88 1
8 . . . . . . . . . . . . . . . . 21.7 . . . . . 4 . C5 . 4 . H5 parsed_2f88 1
9 . . . . . . . . . . . . . . . . 46.0 . . . . . 7 . C5 . 7 . H5 parsed_2f88 1
10 . . . . . . . . . . . . . . . . 25.0 . . . . . 33 . C6 . 33 . H6 parsed_2f88 1
11 . . . . . . . . . . . . . . . . 11.8 . . . . . 34 . C6 . 34 . H6 parsed_2f88 1
12 . . . . . . . . . . . . . . . . 16.3 . . . . . 21 . C6 . 21 . H6 parsed_2f88 1
13 . . . . . . . . . . . . . . . . 45.2 . . . . . 23 . C6 . 23 . H6 parsed_2f88 1
14 . . . . . . . . . . . . . . . . 25.8 . . . . . 28 . C8 . 28 . H8 parsed_2f88 1
15 . . . . . . . . . . . . . . . . 40.2 . . . . . 10 . C8 . 10 . H8 parsed_2f88 1
16 . . . . . . . . . . . . . . . . 24.8 . . . . . 2 . C8 . 2 . H8 parsed_2f88 1
17 . . . . . . . . . . . . . . . . 22.4 . . . . . 19 . C8 . 19 . H8 parsed_2f88 1
18 . . . . . . . . . . . . . . . . 27.8 . . . . . 26 . C8 . 26 . H8 parsed_2f88 1
19 . . . . . . . . . . . . . . . . 12.2 . . . . . 13 . C8 . 13 . H8 parsed_2f88 1
20 . . . . . . . . . . . . . . . . 29.4 . . . . . 8 . C8 . 8 . H8 parsed_2f88 1
21 . . . . . . . . . . . . . . . . 28.0 . . . . . 1 . C8 . 1 . H8 parsed_2f88 1
22 . . . . . . . . . . . . . . . . 48.6 . . . . . 31 . C8 . 31 . H8 parsed_2f88 1
23 . . . . . . . . . . . . . . . . 31.9 . . . . . 3 . C8 . 3 . H8 parsed_2f88 1
24 . . . . . . . . . . . . . . . . -46.9 . . . . . 2 . C1' . 2 . H1' parsed_2f88 1
25 . . . . . . . . . . . . . . . . -28.3 . . . . . 3 . C1' . 3 . H1' parsed_2f88 1
26 . . . . . . . . . . . . . . . . -17.9 . . . . . 7 . C1' . 7 . H1' parsed_2f88 1
27 . . . . . . . . . . . . . . . . -12.6 . . . . . 8 . C1' . 8 . H1' parsed_2f88 1
28 . . . . . . . . . . . . . . . . 19.9 . . . . . 12 . C1' . 12 . H1' parsed_2f88 1
29 . . . . . . . . . . . . . . . . -2.7 . . . . . 13 . C1' . 13 . H1' parsed_2f88 1
30 . . . . . . . . . . . . . . . . -4.4 . . . . . 22 . C1' . 22 . H1' parsed_2f88 1
31 . . . . . . . . . . . . . . . . 12.5 . . . . . 23 . C1' . 23 . H1' parsed_2f88 1
32 . . . . . . . . . . . . . . . . 11.4 . . . . . 24 . C1' . 24 . H1' parsed_2f88 1
33 . . . . . . . . . . . . . . . . -42.9 . . . . . 26 . C1' . 26 . H1' parsed_2f88 1
34 . . . . . . . . . . . . . . . . -49.9 . . . . . 28 . C1' . 28 . H1' parsed_2f88 1
35 . . . . . . . . . . . . . . . . -48.4 . . . . . 29 . C1' . 29 . H1' parsed_2f88 1
36 . . . . . . . . . . . . . . . . -12.2 . . . . . 33 . C1' . 33 . H1' parsed_2f88 1
37 . . . . . . . . . . . . . . . . -27.4 . . . . . 34 . C1' . 34 . H1' parsed_2f88 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
{Residual dipolar coupling restraints}
File name D5PL_RDC.tbl
NMR structure of D5 of the group II intron of PL
Mahadevan Seetharaman, May 13, 2005
Kwaku T. Dayie, Oct 17, 2005 removed flexible bulge and tetraloop
Kwaku T. Dayie, Oct 24, 2005 removed flexible bulge A25 and tetraloop and U14
A18_C2 9.795
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C2 )
( resid 18 and name H2 ) 9.8 2.0
A25_C2 24.412
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C2 )
( resid 25 and name H2 ) 24.4 2.0
A16_C2 27.852
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name C2 )
( resid 16 and name H2 ) 27.9 2.0
A17_C2 13.848
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C2 )
( resid 17 and name H2 ) 13.8 2.0
A2_C2 28.386
;
1 1 35 15 parsed_2f88 1
2 "A24_C2 25.152" 42 1 42 16 parsed_2f88 1
3 "C34_C5 45.209" 49 1 49 16 parsed_2f88 1
4 "U33_C5 48.631" 56 1 56 16 parsed_2f88 1
5 "C21_C5 14.249" 63 1 63 16 parsed_2f88 1
6 "U9_C5 28.206" 70 1 70 15 parsed_2f88 1
7 "U32_C5 46.579" 77 1 77 16 parsed_2f88 1
8
;
U14_C5 12.491
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C5 )
( resid 14 and name H5 ) 12.5 2.0
C4_C5 21.714
;
84 1 91 15 parsed_2f88 1
9 "U7_C5 46.013" 98 1 98 15 parsed_2f88 1
10 "U33_C6 24.959" 105 1 105 16 parsed_2f88 1
11 "C34_C6 11.813" 112 1 112 16 parsed_2f88 1
12 "C21_C6 16.328" 119 1 119 16 parsed_2f88 1
13 "C23_C6 45.186" 126 1 126 16 parsed_2f88 1
14
;
U14_C6 16.677
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C6 )
( resid 14 and name H6 ) 16.7 2.0
A16_C8 13.637
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name C8 )
( resid 16 and name H8 ) 13.6 2.0
A18_C8 12.622
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C8 )
( resid 18 and name H8 ) 12.6 2.0
A28_C8 25.847
;
133 1 154 16 parsed_2f88 1
15
;
A25_C8 28.85
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C8 )
( resid 25 and name H8 ) 28.9 2.0
A17_C8 5.544
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C8 )
( resid 17 and name H8 ) 5.5 2.0
G10_C8 40.167
;
161 1 175 16 parsed_2f88 1
16 "A2_C8 24.799" 182 1 182 15 parsed_2f88 1
17 "G19_C8 22.413" 189 1 189 16 parsed_2f88 1
18 "G26_C8 27.848" 196 1 196 16 parsed_2f88 1
19 "A13_C8 12.164" 203 1 203 16 parsed_2f88 1
20 "G8_C8 29.424" 210 1 210 15 parsed_2f88 1
21
;
G15_C8 -10.847
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C8 )
( resid 15 and name H8 ) -10.8 2.0
G1_C8 28.033
;
217 1 224 15 parsed_2f88 1
22 "G31_C8 48.624" 231 1 231 16 parsed_2f88 1
23 "G3_C8 31.922" 238 1 238 15 parsed_2f88 1
24 "A2_C1' -46.856" 245 1 245 17 parsed_2f88 1
25 "G3_C1' -28.258" 252 1 252 17 parsed_2f88 1
26 "U7_C1' -17.925" 259 1 259 17 parsed_2f88 1
27 "G8_C1' -12.604" 266 1 266 17 parsed_2f88 1
28 "G12_C1' 19.949" 273 1 273 17 parsed_2f88 1
29 "A13_C1' -2.727" 280 1 280 17 parsed_2f88 1
30
;
U14_C1' 9.748
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C1' )
( resid 14 and name H1' ) 9.7 2.0
A17_C1' -17.681
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C1' )
( resid 17 and name H1' ) -17.7 2.0
A18_C1' -20.432
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C1' )
( resid 18 and name H1' ) -20.4 2.0
G22_C1' -4.449
;
287 1 308 17 parsed_2f88 1
31 "C23_C1' 12.518" 315 1 315 17 parsed_2f88 1
32 "A24_C1' 11.423" 322 1 322 17 parsed_2f88 1
33
;
A25_C1' -19.066
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C1' )
( resid 25 and name H1' ) -19.1 2.0
G26_C1' -42.851
;
329 1 336 18 parsed_2f88 1
34 "A28_C1' -49.928" 343 1 343 18 parsed_2f88 1
35 "C29_C1' -48.433" 350 1 350 18 parsed_2f88 1
36 "U33_C1' -12.246" 357 1 357 18 parsed_2f88 1
37 "C34_C1' -27.358" 364 1 364 18 parsed_2f88 1
stop_
save_
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